Boc-N-methyl-L-leucine

C12H23NO4CAS 53363-89-6245.32 g/mol

Open in Covalent MOL file
OOHNOO
CarbamateCarboxylic acid

Properties

Molecular formula
C12H23NO4
Molar mass
245.32 g/mol
Exact mass
245.1627 Da
logP
2.35Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
53363-89-6
SMILES
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIKey
YXJFAOXATCRIKU-VIFPVBQESA-N
InChI
InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Boc-N-methyl-L-leucine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-N-me-ser-oh101772-29-671 % similar Boc-N-methyl-L-alanine16948-16-663 % similar Boc-N-methyl-D-alanine19914-38-663 % similar Boc-N-methyl-L-valine45170-31-862 % similar (R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid89536-85-662 % similar Boc-N-methyl-L-phenylalanine37553-65-462 % similar N-Boc-N-methyl-D-phenylalanine85466-66-662 % similar Boc-MeTyr-OH82038-34-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-4 Boc-L-beta-homoleucine132549-43-0 (3R,4S)-3-(((tert-Butoxy)carbonyl)amino)-4-methylhexanoic acid218608-82-3 Boc-N-methyl-L-isoleucine52498-32-5 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-4 Boc-leu-ome63096-02-6 Di-tert-butyl iminodiacetate85916-13-8

Elsewhere

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